[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol

C15H15Br2NO — CID 107229828

IUPAC[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C15H15Br2NO/c16-14-6-5-13(7-15(14)17)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2
InChIKeyNVSGMSCKYBQPJR-UHFFFAOYSA-N
MW385.10 g/mol
LogP3.99
Rot. Bonds5

About [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol

[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol (PubChem CID 107229828) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
PubChem CID107229828
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C15H15Br2NO/c16-14-6-5-13(7-15(14)17)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2
InChIKeyNVSGMSCKYBQPJR-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
CID 113352570
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
N-[(3,4-dibromophenyl)methyl]prop-2-yn-1-amine
CID 115692967
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
[4-[[(3-bromo-5-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 107230838
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952

Frequently Asked Questions

What is the IUPAC name of [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol (CID 107229828) is [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol is OCc1ccc(CNCc2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is NVSGMSCKYBQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c16-14-6-5-13(7-15(14)17)9-18-8-11-1-3-12(10-19)4-2-11/h1-7,18-19H,8-10H2.
What are the key properties of [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol?
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 385.10 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107229828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).